A0A075B678_MOUSE Loading...

Immunoglobulin heavy variable 8-13

AlphaFold DB , UniProt , Accession A0A075B678, Species MOUSE (Mus musculus, Mouse), Gene Ighv8-13, Length 99 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1Q88.8Confident95.3Very high213 Ų21392.5 Ų92.5100%0.99554%0.543SS*.  0143.20-174.81747.400108
2V94.8Very high95.3Very high59 Ų5989.6 Ų89.636%0.35852%0.523SS..  trans-91.1136.4178.11730000109.2L4 S25 F27V2-L4 HydrophobicContact CG1-CD1 3.75Å; V2-S25 WeakPolarHBondContact CA-O 3.45Å; V2-F27 HydrophobicContact CG1-CD1 3.9Å; V2-F27 HydrophobicContact CG1-CE1 4.15Å
3T97.1Very high95.3Very high67 Ų6792.5 Ų92.541%0.41153%0.529SS..EExtended strand (participates in β ladder)trans-134.3139.7175.764.60000110.1F24 S25T3-F24 CarbonylContact O-C 3.48Å; T3-F24 WeakPolarHBondContact O-CA 3.23Å; T3-F24 WeakPolarHBondContact O-CB 3.32Å; T3-S25 PolarHBondContact N-O 3.36Å; T3-S25 VanDerWaalsContact N-O 3.07Å; T3-S25 PolarHBondContact O-N 3Å; T3-S25 PolarHBondContact OG1-OG 2.78Å
4L98Very high95.3Very high49 Ų4991.7 Ų91.726%0.25753%0.529SS..EExtended strand (participates in β ladder)trans-127.2137.6170.4-67.390.6000107.7V2 F24 F27 C97 R99V2-L4 HydrophobicContact CG1-CD1 3.75Å; L4-F24 HydrophobicContact CG-CB 4.11Å; L4-F27 HydrophobicContact CD1-CE1 4.48Å; L4-C97 HydrophobicContact CD2-CB 4.23Å; L4-R99 HydrophobicContact CD2-CB 4.32Å
5K98.2Very high95.3Very high154 Ų15492 Ų9267%0.6754%0.538SS*.EExtended strand (participates in β ladder)trans-139.1118.3-178.6-176.6179.9179.3-1790110.5C22 S23K5-C22 WeakPolarHBondContact O-CA 3.35Å; K5-S23 PolarHBondContact N-O 3.33Å; K5-S23 PolarHBondContact O-N 2.98Å
6E98.4Very high95.4Very high65 Ų6591.8 Ų91.830%0.30453%0.53SS..EExtended strand (participates in β ladder)trans-83.6145.1177.2-53.282.7173.900111.2T21 W38 Y96 C97E6-T21 CarbonylContact C-O 3.58Å; E6-T21 VanDerWaalsContact CA-O 3.3Å; E6-T21 WeakPolarHBondContact CA-O 3.35Å; E6-W38 HydrophobicContact CB-CH2 4.23Å; E6-W38 HydrophobicContact CB-CZ3 4.38Å; E6-W38 HydrophobicContact CG-CH2 4.01Å; E6-W38 HydrophobicContact CG-CZ3 3.9Å; E6-Y96 VanDerWaalsContact OE1-CA 3.29Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.35Å; E6-C97 HydrophobicContact CG-CB 4.41Å; E6-C97 PolarHBondContact OE1-N 3.3Å
7S98.3Very high95.5Very high63 Ų6390.4 Ų90.444%0.44152%0.524SS..EExtended strand (participates in β ladder)trans-147154.7169.765.50000110.4L20 T21S7-L20 CarbonylContact O-C 3.58Å; S7-L20 WeakPolarHBondContact O-CA 3.47Å; S7-T21 PolarHBondContact N-O 3.13Å; S7-T21 PolarHBondContact O-N 2.84Å
8G96.8Very high95.7Very high49 Ų4986.2 Ų86.251%0.50550%0.499SS..  trans173.9179.8-17700000112.3
9P93.2Very high95.8Very high58 Ų5884.5 Ų84.538%0.37749%0.493SS..  trans-67.5147.1173.730.9-34.9000110.5L12 L18 S19P9-L12 HydrophobicContact CB-CD2 3.93Å; P9-L12 HydrophobicContact CB-CG 4.28Å; P9-L12 HydrophobicContact CG-CD1 3.87Å; P9-L12 HydrophobicContact CG-CD2 4.03Å; P9-L12 HydrophobicContact CG-CG 4.09Å; P9-L18 HydrophobicContact CG-CD1 3.55Å; P9-S19 WeakPolarHBondContact CD-O 3.42Å
10G91.5Very high95.9Very high83 Ų8381 Ų8186%0.85647%0.472SS*.SBendtrans-78.6-62.217900000113.1
11I93.7Very high96.1Very high157 Ų15778.6 Ų78.681%0.80546%0.458SS*.  trans-117.6133.5-177.4-60.2173.4000108.7
12L94.9Very high96.5Very high58 Ų5868.4 Ų68.430%0.30441%0.411SS..  trans-127.2151.7174.7-65.3176.4000110P9 L18 V87P9-L12 HydrophobicContact CB-CD2 3.93Å; P9-L12 HydrophobicContact CB-CG 4.28Å; P9-L12 HydrophobicContact CG-CD1 3.87Å; P9-L12 HydrophobicContact CG-CD2 4.03Å; P9-L12 HydrophobicContact CG-CG 4.09Å; L12-L18 HydrophobicContact CD1-CB 3.71Å; L12-L18 HydrophobicContact CD1-CD1 3.69Å; L12-L18 HydrophobicContact CD1-CG 4.3Å; L12-V87 HydrophobicContact CB-CG2 4.39Å
13Q95Very high96.7Very high128 Ų12867.6 Ų67.660%0.59841%0.408SS*.  trans-82.1155.2169.4-63-63.2-35.100110.5Q16Q13-Q16 HydrophobicContact CB-CG 4.19Å; Q13-Q16 VanDerWaalsContact O-CB 3.3Å; Q13-Q16 WeakPolarHBondContact O-CB 3.42Å; Q13-Q16 WeakPolarHBondContact O-CG 3.43Å; Q13-Q16 PolarHBondContact O-N 2.77Å
14P94.9Very high96.7Very high81 Ų8164.9 Ų64.953%0.52639%0.39SS..THydrogen-bonded Turntrans-53.8152.1172.6-25.634.9000112.6Q16 V87P14-Q16 PolarHBondContact O-N 2.71Å; P14-Q16 VanDerWaalsContact O-N 3.14Å; P14-V87 CarbonylContact C-O 3.58Å; P14-V87 VanDerWaalsContact CA-O 3.31Å; P14-V87 WeakPolarHBondContact CA-O 3.46Å
15S95.3Very high96.7Very high96 Ų9665.2 Ų65.267%0.67140%0.396SS*.THydrogen-bonded Turntrans68.1-3-177.1-53.10000115.7V87S15-V87 PolarHBondContact N-O 2.91Å
16Q97.3Very high96.5Very high88 Ų8860.6 Ų60.641%0.41139%0.393SS..PPolyproline II helixtrans-73.9171.4171.4-65.1-170.9-46.400111.7Q13 P14 T86 V87Q13-Q16 HydrophobicContact CB-CG 4.19Å; Q13-Q16 VanDerWaalsContact O-CB 3.3Å; Q13-Q16 WeakPolarHBondContact O-CB 3.42Å; Q13-Q16 WeakPolarHBondContact O-CG 3.43Å; Q13-Q16 PolarHBondContact O-N 2.77Å; P14-Q16 PolarHBondContact O-N 2.71Å; P14-Q16 VanDerWaalsContact O-N 3.14Å; Q16-T86 PolarHBondContact O-N 2.99Å; Q16-V87 HydrophobicContact CB-CG2 4.49Å; Q16-V87 WeakPolarHBondContact O-CG2 3.46Å; Q16-V87 PolarHBondContact O-N 3.34Å
17T97.8Very high96.4Very high69 Ų6958.7 Ų58.742%0.42338%0.384SS..PPolyproline II helixtrans-103.1122.9173.6-62.50000109.6K83 I84 T85T17-K83 HydrophobicContact CG2-CB 4.38Å; T17-I84 CarbonylContact C-O 3.49Å; T17-I84 WeakPolarHBondContact CA-O 3.32Å; T17-T85 HydrophobicContact CG2-CG2 4.38Å
18L97.9Very high96.2Very high15 Ų1557.4 Ų57.48%0.07938%0.375CS..EExtended strand (participates in β ladder)trans-81.2127.2169.717461000109P9 L12 L20 K83 I84 V87 Y95P9-L18 HydrophobicContact CG-CD1 3.55Å; L12-L18 HydrophobicContact CD1-CB 3.71Å; L12-L18 HydrophobicContact CD1-CD1 3.69Å; L12-L18 HydrophobicContact CD1-CG 4.3Å; L18-L20 HydrophobicContact CD1-CD2 3.73Å; L18-L20 HydrophobicContact CD1-CG 4.07Å; L18-L20 HydrophobicContact CD2-CD1 4.2Å; L18-L20 HydrophobicContact CD2-CD2 4.5Å; L18-L20 HydrophobicContact CD2-CG 4.26Å; L18-L20 HydrophobicContact CG-CD1 4.45Å; L18-L20 HydrophobicContact CG-CD2 4.2Å; L18-L20 HydrophobicContact CG-CG 3.99Å; L18-K83 CarbonylContact O-C 3.56Å; L18-K83 VanDerWaalsContact O-CA 3.25Å; L18-K83 WeakPolarHBondContact O-CA 3.47Å; L18-I84 HydrophobicContact CB-CB 4.28Å; L18-I84 HydrophobicContact CD2-CD1 4.15Å; L18-I84 PolarHBondContact N-O 2.81Å; L18-I84 PolarHBondContact O-N 2.87Å; L18-V87 HydrophobicContact CB-CG1 3.73Å; L18-Y95 HydrophobicContact CD2-CD2 4.5Å; L18-Y95 HydrophobicContact CD2-CE1 4.19Å; L18-Y95 HydrophobicContact CD2-CE2 3.87Å
19S98.1Very high96.1Very high54 Ų5455.1 Ų55.138%0.37835%0.35SS..EExtended strand (participates in β ladder)trans-121.6116.3173.5-62.80000109.5P9 L82P9-S19 WeakPolarHBondContact CD-O 3.42Å; S19-L82 WeakPolarHBondContact CA-O 3.42Å
20L98.6Very high96.2Very high14 Ų1456 Ų567%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-112.3150.3178.9-59.7176.4000110.4S7 L18 W38 F81 L82 Y95S7-L20 CarbonylContact O-C 3.58Å; S7-L20 WeakPolarHBondContact O-CA 3.47Å; L18-L20 HydrophobicContact CD1-CD2 3.73Å; L18-L20 HydrophobicContact CD1-CG 4.07Å; L18-L20 HydrophobicContact CD2-CD1 4.2Å; L18-L20 HydrophobicContact CD2-CD2 4.5Å; L18-L20 HydrophobicContact CD2-CG 4.26Å; L18-L20 HydrophobicContact CG-CD1 4.45Å; L18-L20 HydrophobicContact CG-CD2 4.2Å; L18-L20 HydrophobicContact CG-CG 3.99Å; L20-W38 HydrophobicContact CB-CH2 3.47Å; L20-W38 VanDerWaalsContact CB-CH2 3.47Å; L20-W38 HydrophobicContact CB-CZ2 3.8Å; L20-W38 HydrophobicContact CB-CZ3 3.97Å; L20-W38 HydrophobicContact CD1-CE3 4.09Å; L20-W38 HydrophobicContact CD1-CH2 4.09Å; L20-W38 HydrophobicContact CD1-CZ3 3.68Å; L20-W38 HydrophobicContact CG-CH2 4.39Å; L20-W38 HydrophobicContact CG-CZ3 4.45Å; L20-F81 VanDerWaalsContact O-CA 3.27Å; L20-F81 WeakPolarHBondContact O-CA 3.25Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.31Å; L20-L82 PolarHBondContact N-O 3.37Å; L20-L82 PolarHBondContact O-N 3.01Å; L20-Y95 HydrophobicContact CD1-CD1 3.45Å; L20-Y95 VanDerWaalsContact CD1-CD1 3.45Å; L20-Y95 HydrophobicContact CD1-CD2 4.11Å; L20-Y95 HydrophobicContact CD1-CE1 4.17Å; L20-Y95 HydrophobicContact CD1-CG 3.42Å; L20-Y95 VanDerWaalsContact CD1-CG 3.42Å
21T98.8Very high96.4Very high30 Ų3055.3 Ų55.318%0.18434%0.338CS..EExtended strand (participates in β ladder)trans-124.9135.1174.5-54.10000109.2E6 S7 Q79 V80 F81E6-T21 CarbonylContact C-O 3.58Å; E6-T21 VanDerWaalsContact CA-O 3.3Å; E6-T21 WeakPolarHBondContact CA-O 3.35Å; S7-T21 PolarHBondContact N-O 3.13Å; S7-T21 PolarHBondContact O-N 2.84Å; T21-Q79 HydrophobicContact CG2-CB 4.23Å; T21-Q79 HydrophobicContact CG2-CG 3.94Å; T21-V80 CarbonylContact C-O 3.54Å; T21-F81 HydrophobicContact CG2-CD1 3.89Å; T21-F81 HydrophobicContact CG2-CE1 3.58Å; T21-F81 HydrophobicContact CG2-CZ 4.48Å; T21-F81 WeakPolarHBondContact OG1-CD1 3.44Å
22C98.5Very high96.5Very high0 Ų055.6 Ų55.60%033%0.333CS..EExtended strand (participates in β ladder)trans-112109.9169175.70000107.5K5 W38 Q79 V80 C97K5-C22 WeakPolarHBondContact O-CA 3.35Å; C22-W38 HydrophobicContact CB-CH2 4.09Å; C22-W38 HydrophobicContact CB-CZ2 3.59Å; C22-Q79 CarbonylContact O-C 3.57Å; C22-Q79 VanDerWaalsContact O-CA 3.26Å; C22-Q79 WeakPolarHBondContact O-CA 3.47Å; C22-V80 HydrophobicContact CB-CB 4.43Å; C22-V80 PolarHBondContact N-O 2.93Å; C22-V80 PolarHBondContact O-N 3.07Å; C22-C97 HydrophobicContact CB-CB 3.46Å; C22-C97 VanDerWaalsContact CB-CB 3.46Å; C22-C97 WeakPolarHBondContact CB-SG 3.35Å; C22-C97 WeakPolarHBondContact SG-CB 3.17Å; C22-C97 CovalentContact SG-SG 2.03Å; C22-C97 PolarHBondContact SG-SG 2.9Å
23S98.4Very high96.5Very high41 Ų4154.9 Ų54.929%0.28734%0.34SS..EExtended strand (participates in β ladder)trans-93.3134171.7-57.60000109.1K5 Q79K5-S23 PolarHBondContact N-O 3.33Å; K5-S23 PolarHBondContact O-N 2.98Å; S23-Q79 PolarHBondContact OG-NE2 2.86Å
24F97.2Very high96.6Very high10 Ų1051 Ų514%0.04432%0.323CS..EExtended strand (participates in β ladder)trans-132.1159.9-176.159-95.6000113.5T3 L4 F27 L29 N78 V80T3-F24 CarbonylContact O-C 3.48Å; T3-F24 WeakPolarHBondContact O-CA 3.23Å; T3-F24 WeakPolarHBondContact O-CB 3.32Å; L4-F24 HydrophobicContact CG-CB 4.11Å; F24-F27 HydrophobicContact CB-CE1 3.56Å; F24-F27 HydrophobicContact CB-CZ 3.82Å; F24-F27 HydrophobicContact CD1-CZ 4.04Å; F24-F27 AromaticContact CD2-CD1 3.96Å; F24-F27 HydrophobicContact CD2-CD1 3.96Å; F24-F27 HydrophobicContact CD2-CD2 4.24Å; F24-F27 AromaticContact CD2-CE1 3.42Å; F24-F27 HydrophobicContact CD2-CE1 3.42Å; F24-F27 VanDerWaalsContact CD2-CE1 3.42Å; F24-F27 AromaticContact CD2-CE2 3.73Å; F24-F27 HydrophobicContact CD2-CE2 3.73Å; F24-F27 HydrophobicContact CD2-CG 4.35Å; F24-F27 AromaticContact CD2-CZ 3.28Å; F24-F27 HydrophobicContact CD2-CZ 3.28Å; F24-F27 HydrophobicContact CE1-CZ 4.49Å; F24-F27 HydrophobicContact CE2-CD2 4.26Å; F24-F27 HydrophobicContact CE2-CE1 4.32Å; F24-F27 AromaticContact CE2-CE2 3.79Å; F24-F27 HydrophobicContact CE2-CE2 3.79Å; F24-F27 AromaticContact CE2-CZ 3.82Å; F24-F27 HydrophobicContact CE2-CZ 3.82Å; F24-F27 AromaticContact CG-CE1 3.62Å; F24-F27 HydrophobicContact CG-CE1 3.62Å; F24-F27 HydrophobicContact CG-CE2 4.24Å; F24-F27 AromaticContact CG-CZ 3.42Å; F24-F27 HydrophobicContact CG-CZ 3.42Å; F24-F27 VanDerWaalsContact CG-CZ 3.42Å; F24-F27 HydrophobicContact CZ-CE2 4.36Å; F24-F27 HydrophobicContact CZ-CZ 4.41Å; F24-L29 HydrophobicContact CE1-CD1 3.48Å; F24-L29 VanDerWaalsContact CE1-CD1 3.48Å; F24-L29 HydrophobicContact CE1-CG 4.13Å; F24-L29 HydrophobicContact CE2-CD1 4.41Å; F24-L29 HydrophobicContact CE2-CG 4.2Å; F24-L29 HydrophobicContact CZ-CB 3.98Å; F24-L29 HydrophobicContact CZ-CD1 3.39Å; F24-L29 HydrophobicContact CZ-CG 3.6Å; F24-N78 WeakPolarHBondContact CD1-O 3.44Å; F24-N78 HydrophobicContact CD2-CB 3.89Å; F24-N78 HydrophobicContact CE1-CB 4.36Å; F24-N78 WeakPolarHBondContact CE1-O 3.47Å; F24-N78 HydrophobicContact CE2-CB 3.58Å; F24-N78 HydrophobicContact CG-CB 4.41Å; F24-N78 VanDerWaalsContact CZ-C 3.41Å; F24-N78 VanDerWaalsContact CZ-CA 3.45Å; F24-N78 HydrophobicContact CZ-CB 3.83Å; F24-N78 PolarHBondContact N-O 2.81Å; F24-N78 WeakPolarHBondContact O-CB 3.1Å; F24-V80 HydrophobicContact CE1-CG2 3.95Å
25S97.2Very high96.7Very high56 Ų5647.4 Ų47.439%0.39230%0.299SS..EExtended strand (participates in β ladder)trans-145.6162.8174.687.40000111.2V2 T3 F27V2-S25 WeakPolarHBondContact CA-O 3.45Å; T3-S25 PolarHBondContact N-O 3.36Å; T3-S25 VanDerWaalsContact N-O 3.07Å; T3-S25 PolarHBondContact O-N 3Å; T3-S25 PolarHBondContact OG1-OG 2.78Å; S25-F27 VanDerWaalsContact C-N 3.34Å
26G95.6Very high96.9Very high57 Ų5742.8 Ų42.859%0.58827%0.268SS*.SBendtrans835179.300000115.1
27F94.8Very high97Very high26 Ų2639.7 Ų39.711%0.11426%0.256CS..SBendtrans-153.2167.3166.872-81.5000110.4V2 L4 F24 S25 L29 V36 R99V2-F27 HydrophobicContact CG1-CD1 3.9Å; V2-F27 HydrophobicContact CG1-CE1 4.15Å; L4-F27 HydrophobicContact CD1-CE1 4.48Å; F24-F27 HydrophobicContact CB-CE1 3.56Å; F24-F27 HydrophobicContact CB-CZ 3.82Å; F24-F27 HydrophobicContact CD1-CZ 4.04Å; F24-F27 AromaticContact CD2-CD1 3.96Å; F24-F27 HydrophobicContact CD2-CD1 3.96Å; F24-F27 HydrophobicContact CD2-CD2 4.24Å; F24-F27 AromaticContact CD2-CE1 3.42Å; F24-F27 HydrophobicContact CD2-CE1 3.42Å; F24-F27 VanDerWaalsContact CD2-CE1 3.42Å; F24-F27 AromaticContact CD2-CE2 3.73Å; F24-F27 HydrophobicContact CD2-CE2 3.73Å; F24-F27 HydrophobicContact CD2-CG 4.35Å; F24-F27 AromaticContact CD2-CZ 3.28Å; F24-F27 HydrophobicContact CD2-CZ 3.28Å; F24-F27 HydrophobicContact CE1-CZ 4.49Å; F24-F27 HydrophobicContact CE2-CD2 4.26Å; F24-F27 HydrophobicContact CE2-CE1 4.32Å; F24-F27 AromaticContact CE2-CE2 3.79Å; F24-F27 HydrophobicContact CE2-CE2 3.79Å; F24-F27 AromaticContact CE2-CZ 3.82Å; F24-F27 HydrophobicContact CE2-CZ 3.82Å; F24-F27 AromaticContact CG-CE1 3.62Å; F24-F27 HydrophobicContact CG-CE1 3.62Å; F24-F27 HydrophobicContact CG-CE2 4.24Å; F24-F27 AromaticContact CG-CZ 3.42Å; F24-F27 HydrophobicContact CG-CZ 3.42Å; F24-F27 VanDerWaalsContact CG-CZ 3.42Å; F24-F27 HydrophobicContact CZ-CE2 4.36Å; F24-F27 HydrophobicContact CZ-CZ 4.41Å; S25-F27 VanDerWaalsContact C-N 3.34Å; F27-L29 HydrophobicContact CE2-CD2 4.15Å; F27-L29 HydrophobicContact CE2-CG 3.89Å; F27-V36 HydrophobicContact CE2-CG2 4.06Å; F27-V36 HydrophobicContact CZ-CG2 3.77Å; F27-R99 VanDerWaalsContact CD2-CD 3.47Å; F27-R99 HydrophobicContact CE1-CB 4.28Å; F27-R99 VanDerWaalsContact CE1-CD 3.44Å; F27-R99 HydrophobicContact CE1-CG 4.44Å; F27-R99 HydrophobicContact CE2-CG 4.28Å; F27-R99 HydrophobicContact CZ-CB 4.07Å; F27-R99 HydrophobicContact CZ-CG 4.24Å
28S95.2Very high97Very high36 Ų3636.4 Ų36.425%0.25224%0.235SC..  trans-116.3131.5173-176.90000110.8S30 T31 M34S28-S30 PolarHBondContact O-N 3.19Å; S28-S30 PolarHBondContact OG-N 3.47Å; S28-S30 VanDerWaalsContact OG-N 3.09Å; S28-S30 PolarHBondContact OG-OG 3.18Å; S28-T31 WeakPolarHBondContact O-CB 3.46Å; S28-T31 PolarHBondContact O-N 3.18Å; S28-T31 PolarHBondContact O-OG1 3.42Å; S28-M34 WeakPolarHBondContact O-CG 3.46Å
29L95.3Very high97Very high0 Ų037.4 Ų37.40%024%0.24CC..THydrogen-bonded Turntrans-73.8-3169.4-88.7178.2000113.3F24 F27 T31 M34 V36 W55 K73 T75 V80F24-L29 HydrophobicContact CE1-CD1 3.48Å; F24-L29 VanDerWaalsContact CE1-CD1 3.48Å; F24-L29 HydrophobicContact CE1-CG 4.13Å; F24-L29 HydrophobicContact CE2-CD1 4.41Å; F24-L29 HydrophobicContact CE2-CG 4.2Å; F24-L29 HydrophobicContact CZ-CB 3.98Å; F24-L29 HydrophobicContact CZ-CD1 3.39Å; F24-L29 HydrophobicContact CZ-CG 3.6Å; F27-L29 HydrophobicContact CE2-CD2 4.15Å; F27-L29 HydrophobicContact CE2-CG 3.89Å; L29-T31 VanDerWaalsContact C-N 3.33Å; L29-M34 HydrophobicContact CD2-CB 4.3Å; L29-V36 HydrophobicContact CD1-CG2 4.05Å; L29-V36 HydrophobicContact CD2-CG2 4.08Å; L29-V36 HydrophobicContact CG-CG2 4.33Å; L29-W55 WeakPolarHBondContact O-CA 3.35Å; L29-W55 WeakPolarHBondContact O-CB 3.3Å; L29-K73 HydrophobicContact CD1-CB 4.37Å; L29-K73 HydrophobicContact CD1-CD 4.41Å; L29-T75 HydrophobicContact CB-CG2 4.07Å; L29-V80 HydrophobicContact CD1-CG2 3.27Å
30S94.4Very high97Very high78 Ų7835.4 Ų35.455%0.54523%0.225SC..THydrogen-bonded Turntrans-84.2-10168.264.60000113.1S28S28-S30 PolarHBondContact O-N 3.19Å; S28-S30 PolarHBondContact OG-N 3.47Å; S28-S30 VanDerWaalsContact OG-N 3.09Å; S28-S30 PolarHBondContact OG-OG 3.18Å
31T95.8Very high97Very high68 Ų6838.2 Ų38.242%0.41724%0.237SC..SBendtrans-76.1131.3179.5-58.80000110.6S28 L29 G33 M34 W55S28-T31 WeakPolarHBondContact O-CB 3.46Å; S28-T31 PolarHBondContact O-N 3.18Å; S28-T31 PolarHBondContact O-OG1 3.42Å; L29-T31 VanDerWaalsContact C-N 3.33Å; T31-G33 PolarHBondContact O-N 2.89Å; T31-M34 HydrophobicContact CG2-CE 4.33Å; T31-M34 HydrophobicContact CG2-CG 4.06Å; T31-M34 VanDerWaalsContact O-CB 3.32Å; T31-M34 WeakPolarHBondContact O-CB 3.31Å; T31-M34 WeakPolarHBondContact O-CG 3.27Å; T31-M34 PolarHBondContact O-N 2.67Å; T31-W55 WeakPolarHBondContact O-CB 3.22Å
32F96.2Very high97Very high162 Ų16237.4 Ų37.471%0.71123%0.233SC*.THydrogen-bonded Turntrans-48.5131.3177.4-177.5-91.4000112M34 W55F32-M34 VanDerWaalsContact C-N 3.26Å; F32-M34 PolarHBondContact O-N 3.29Å; F32-W55 AromaticContact CD2-CE2 3.56Å; F32-W55 AromaticContact CD2-CH2 3.98Å; F32-W55 HydrophobicContact CD2-CH2 3.98Å; F32-W55 AromaticContact CD2-CZ2 3.26Å; F32-W55 HydrophobicContact CD2-CZ2 3.26Å; F32-W55 AromaticContact CD2-NE1 3.86Å; F32-W55 AromaticContact CE2-CZ2 3.63Å; F32-W55 HydrophobicContact CE2-CZ2 3.63Å; F32-W55 HydrophobicContact CG-CZ2 4.33Å
33G94.8Very high96.9Very high43 Ų4343.3 Ų43.344%0.44327%0.274SS..THydrogen-bonded Turntrans77.9-3.8179.500000115.6T31T31-G33 PolarHBondContact O-N 2.89Å
34M97.1Very high96.8Very high48 Ų4845.5 Ų45.524%0.23630%0.303CS..  trans-76.1145.8173.6-66.2-66.6148.800110.9S28 L29 T31 F32 Y54 W55 R99S28-M34 WeakPolarHBondContact O-CG 3.46Å; L29-M34 HydrophobicContact CD2-CB 4.3Å; T31-M34 HydrophobicContact CG2-CE 4.33Å; T31-M34 HydrophobicContact CG2-CG 4.06Å; T31-M34 VanDerWaalsContact O-CB 3.32Å; T31-M34 WeakPolarHBondContact O-CB 3.31Å; T31-M34 WeakPolarHBondContact O-CG 3.27Å; T31-M34 PolarHBondContact O-N 2.67Å; F32-M34 VanDerWaalsContact C-N 3.26Å; F32-M34 PolarHBondContact O-N 3.29Å; M34-Y54 CarbonylContact O-C 3.59Å; M34-Y54 WeakPolarHBondContact O-CA 3.37Å; M34-Y54 WeakPolarHBondContact O-CD1 3.4Å; M34-W55 PolarHBondContact O-N 2.85Å; M34-R99 PolarHBondContact SD-NE 3.39Å; M34-R99 PolarHBondContact SD-NH2 2.62Å
35G97.7Very high96.8Very high4 Ų451.8 Ų51.84%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-154.8168.1175.100000111.8H52 I53G35-H52 WeakPolarHBondContact CA-NE2 3.47Å; G35-I53 CarbonylContact C-O 3.58Å; G35-I53 WeakPolarHBondContact CA-O 3.25Å
36V98.6Very high96.7Very high0 Ų051.8 Ų51.80%034%0.339CS..EExtended strand (participates in β ladder)trans-134.7132175.1169.60000109.1F27 L29 H52 I53 V80 C97 A98 R99F27-V36 HydrophobicContact CE2-CG2 4.06Å; F27-V36 HydrophobicContact CZ-CG2 3.77Å; L29-V36 HydrophobicContact CD1-CG2 4.05Å; L29-V36 HydrophobicContact CD2-CG2 4.08Å; L29-V36 HydrophobicContact CG-CG2 4.33Å; V36-H52 VanDerWaalsContact C-CD2 3.44Å; V36-H52 PolarHBondContact N-NE2 3.18Å; V36-H52 WeakPolarHBondContact O-CA 3.47Å; V36-H52 PolarHBondContact O-CD2 2.8Å; V36-I53 PolarHBondContact N-O 3.16Å; V36-I53 PolarHBondContact O-N 3.39Å; V36-V80 HydrophobicContact CB-CB 4.48Å; V36-V80 HydrophobicContact CB-CG2 3.91Å; V36-V80 HydrophobicContact CG1-CB 4.14Å; V36-V80 HydrophobicContact CG1-CG1 4.23Å; V36-V80 HydrophobicContact CG1-CG2 4.08Å; V36-V80 HydrophobicContact CG2-CG2 4.18Å; V36-C97 HydrophobicContact CG1-CB 4.12Å; V36-A98 CarbonylContact C-O 3.59Å; V36-A98 VanDerWaalsContact CA-O 3.24Å; V36-A98 WeakPolarHBondContact CA-O 3.29Å; V36-R99 HydrophobicContact CG2-CB 4.5Å
37S98.6Very high96.8Very high23 Ų2354.7 Ų54.716%0.16134%0.34CS..EExtended strand (participates in β ladder)trans-99.8149.1172.8-73.70000111.4W49 A51 H52 C97 A98S37-W49 PolarHBondContact OG-NE1 3.27Å; S37-A51 CarbonylContact C-O 3.59Å; S37-A51 VanDerWaalsContact CA-O 3.26Å; S37-A51 WeakPolarHBondContact CA-O 3.39Å; S37-H52 PolarHBondContact OG-CD2 3.49Å; S37-C97 CarbonylContact O-C 3.53Å; S37-C97 VanDerWaalsContact O-CA 3.25Å; S37-C97 WeakPolarHBondContact O-CA 3.41Å; S37-A98 PolarHBondContact N-O 2.73Å; S37-A98 PolarHBondContact O-N 3.16Å
38W98.8Very high97Very high0 Ų056.1 Ų56.10%035%0.348CS..EExtended strand (participates in β ladder)trans-103.5134.4159.5-81.594.4000110.4E6 L20 C22 L50 A51 L82 Y96 C97E6-W38 HydrophobicContact CB-CH2 4.23Å; E6-W38 HydrophobicContact CB-CZ3 4.38Å; E6-W38 HydrophobicContact CG-CH2 4.01Å; E6-W38 HydrophobicContact CG-CZ3 3.9Å; L20-W38 HydrophobicContact CB-CH2 3.47Å; L20-W38 VanDerWaalsContact CB-CH2 3.47Å; L20-W38 HydrophobicContact CB-CZ2 3.8Å; L20-W38 HydrophobicContact CB-CZ3 3.97Å; L20-W38 HydrophobicContact CD1-CE3 4.09Å; L20-W38 HydrophobicContact CD1-CH2 4.09Å; L20-W38 HydrophobicContact CD1-CZ3 3.68Å; L20-W38 HydrophobicContact CG-CH2 4.39Å; L20-W38 HydrophobicContact CG-CZ3 4.45Å; C22-W38 HydrophobicContact CB-CH2 4.09Å; C22-W38 HydrophobicContact CB-CZ2 3.59Å; W38-L50 HydrophobicContact CB-CB 4.31Å; W38-L50 WeakPolarHBondContact O-CB 3.4Å; W38-L50 PolarHBondContact O-N 3.41Å; W38-A51 PolarHBondContact N-O 2.88Å; W38-A51 PolarHBondContact O-N 2.94Å; W38-L82 HydrophobicContact CB-CD1 4.43Å; W38-L82 HydrophobicContact CB-CD2 3.88Å; W38-L82 HydrophobicContact CD2-CB 3.82Å; W38-L82 HydrophobicContact CD2-CD2 4.04Å; W38-L82 HydrophobicContact CE3-CD2 4.32Å; W38-L82 HydrophobicContact CG-CB 3.79Å; W38-L82 HydrophobicContact CG-CD1 4.4Å; W38-L82 HydrophobicContact CG-CD2 3.87Å; W38-L82 HydrophobicContact CG-CG 4.24Å; W38-L82 HydrophobicContact CZ2-CB 4.33Å; W38-Y96 WeakPolarHBondContact CA-O 3.06Å; W38-C97 HydrophobicContact CD2-CB 4.43Å; W38-C97 HydrophobicContact CE3-CB 4.47Å
39I98.6Very high97.1Very high36 Ų3658.6 Ų58.619%0.18535%0.351CS..EExtended strand (participates in β ladder)trans-132.3144.4-179.6-54.8169.7000107L47 E48 Y96 A98I39-L47 HydrophobicContact CG2-CB 3.86Å; I39-L47 HydrophobicContact CG2-CD2 3.73Å; I39-L47 HydrophobicContact CG2-CG 4.31Å; I39-E48 CarbonylContact C-O 3.59Å; I39-E48 WeakPolarHBondContact CA-O 3.41Å; I39-E48 WeakPolarHBondContact CG2-O 3.49Å; I39-Y96 PolarHBondContact N-O 3.41Å; I39-Y96 PolarHBondContact O-N 3.44Å; I39-A98 HydrophobicContact CD1-CB 4.11Å
40R98Very high97.3Very high12 Ų1258.6 Ų58.65%0.04535%0.351CS..EExtended strand (participates in β ladder)trans-122.1155169.570.3177.1-179.3-169.72.6111.9E48 L50 D91 A93 T94 Y95R40-E48 HydrophobicContact CG-CB 4.1Å; R40-E48 IonicContact CZ-OE2 3.46Å; R40-E48 PolarHBondContact N-O 3.06Å; R40-E48 IonicContact NE-OE2 2.76Å; R40-E48 PolarHBondContact NE-OE2 2.83Å; R40-E48 IonicContact NH2-OE1 3.66Å; R40-E48 IonicContact NH2-OE2 3.23Å; R40-E48 PolarHBondContact NH2-OE2 3Å; R40-E48 PolarHBondContact O-N 3.19Å; R40-L50 HydrophobicContact CB-CD1 4.02Å; R40-L50 HydrophobicContact CG-CD1 4.07Å; R40-L50 HydrophobicContact CG-CD2 3.94Å; R40-L50 HydrophobicContact CG-CG 4.17Å; R40-D91 IonicContact CZ-OD1 3.62Å; R40-D91 IonicContact NH1-OD1 2.77Å; R40-D91 PolarHBondContact NH1-OD1 2.79Å; R40-D91 IonicContact NH2-OD1 3.15Å; R40-A93 HydrophobicContact CB-CB 3.82Å; R40-A93 HydrophobicContact CG-CB 4.25Å; R40-T94 CarbonylContact C-O 3.47Å; R40-T94 VanDerWaalsContact CA-O 3.25Å; R40-T94 WeakPolarHBondContact CA-O 3.25Å; R40-Y95 HydrophobicContact CB-CD1 3.74Å; R40-Y95 HydrophobicContact CB-CE1 3.69Å; R40-Y95 HydrophobicContact CB-CG 4.27Å; R40-Y95 HydrophobicContact CG-CE1 4.43Å
41Q98.3Very high97.5Very high73 Ų7354.9 Ų54.934%0.34133%0.325SS..EExtended strand (participates in β ladder)trans-129.399.7173.1-166.1174.316.500110K45 L47 A93 T94 Y96Q41-K45 WeakPolarHBondContact CG-O 3.28Å; Q41-K45 PolarHBondContact NE2-O 3.01Å; Q41-L47 HydrophobicContact CB-CD2 3.98Å; Q41-L47 HydrophobicContact CG-CD2 4.33Å; Q41-A93 WeakPolarHBondContact O-CA 3.46Å; Q41-A93 WeakPolarHBondContact O-CB 3.44Å; Q41-T94 PolarHBondContact N-O 3.37Å; Q41-T94 PolarHBondContact O-N 2.82Å; Q41-Y96 HydrophobicContact CB-CE2 3.92Å
42P97.3Very high97.6Very high13 Ų1352.7 Ų52.78%0.08431%0.31CS..  trans-63.4148.4168.9-18.131.1000110.6G44 K45 A93P42-G44 PolarHBondContact O-N 2.86Å; P42-K45 HydrophobicContact CB-CB 4.08Å; P42-K45 HydrophobicContact CB-CD 3.98Å; P42-K45 HydrophobicContact CB-CG 4.18Å; P42-K45 HydrophobicContact CG-CB 4.33Å; P42-K45 HydrophobicContact CG-CD 4.22Å; P42-K45 PolarHBondContact O-N 3.23Å; P42-A93 HydrophobicContact CB-CB 4.43Å; P42-A93 HydrophobicContact CG-CB 4.2Å
43S96.7Very high97.7Very high123 Ų12345 Ų4586%0.8628%0.277SS*.THydrogen-bonded Turntrans-57.7129.7179.4-171.40000111.2K45S43-K45 PolarHBondContact O-N 2.76Å
44G96.7Very high97.9Very high87 Ų8747.2 Ų47.290%0.89727%0.272SS*.THydrogen-bonded Turntrans72.57.5-177.600000115.4P42P42-G44 PolarHBondContact O-N 2.86Å
45K96.5Very high97.9Very high142 Ų14248.9 Ų48.962%0.61728%0.276SS*.SBendtrans-117.4165.1177.3-59.6-168.6-175.8176.70112.1Q41 P42 S43Q41-K45 WeakPolarHBondContact CG-O 3.28Å; Q41-K45 PolarHBondContact NE2-O 3.01Å; P42-K45 HydrophobicContact CB-CB 4.08Å; P42-K45 HydrophobicContact CB-CD 3.98Å; P42-K45 HydrophobicContact CB-CG 4.18Å; P42-K45 HydrophobicContact CG-CB 4.33Å; P42-K45 HydrophobicContact CG-CD 4.22Å; P42-K45 PolarHBondContact O-N 3.23Å; S43-K45 PolarHBondContact O-N 2.76Å
46G96.3Very high97.9Very high56 Ų5652.6 Ų52.658%0.57730%0.295SS*.  trans-71.4174.2172.100000112.8
47L97.9Very high97.9Very high118 Ų11856.5 Ų56.562%0.61832%0.316SS*.  trans-66.8134.5173.4-67.7167.9000110.5I39 Q41 Y96I39-L47 HydrophobicContact CG2-CB 3.86Å; I39-L47 HydrophobicContact CG2-CD2 3.73Å; I39-L47 HydrophobicContact CG2-CG 4.31Å; Q41-L47 HydrophobicContact CB-CD2 3.98Å; Q41-L47 HydrophobicContact CG-CD2 4.33Å; L47-Y96 HydrophobicContact CD2-CD2 4.35Å; L47-Y96 HydrophobicContact CD2-CE2 4.42Å
48E98.1Very high97.9Very high57 Ų5758.8 Ų58.827%0.26633%0.326SS..EExtended strand (participates in β ladder)trans-119.2116.1174.5-176.8178.3-158.600109I39 R40I39-E48 CarbonylContact C-O 3.59Å; I39-E48 WeakPolarHBondContact CA-O 3.41Å; I39-E48 WeakPolarHBondContact CG2-O 3.49Å; R40-E48 HydrophobicContact CG-CB 4.1Å; R40-E48 IonicContact CZ-OE2 3.46Å; R40-E48 PolarHBondContact N-O 3.06Å; R40-E48 IonicContact NE-OE2 2.76Å; R40-E48 PolarHBondContact NE-OE2 2.83Å; R40-E48 IonicContact NH2-OE1 3.66Å; R40-E48 IonicContact NH2-OE2 3.23Å; R40-E48 PolarHBondContact NH2-OE2 3Å; R40-E48 PolarHBondContact O-N 3.19Å
49W98.4Very high97.8Very high88 Ų8862.6 Ų62.633%0.33334%0.343SS..EExtended strand (participates in β ladder)trans-70.7138.9174.4176.283.8000110.6S37 A51 H52 H60 Y61 N62S37-W49 PolarHBondContact OG-NE1 3.27Å; W49-A51 PolarHBondContact NE1-O 2.93Å; W49-H52 HydrophobicContact CZ2-CB 3.64Å; W49-H60 HydrophobicContact CH2-CB 3.83Å; W49-H60 HydrophobicContact CZ2-CB 4.02Å; W49-Y61 VanDerWaalsContact CH2-C 3.4Å; W49-N62 HydrophobicContact CE3-CB 3.9Å; W49-N62 VanDerWaalsContact CZ3-CA 3.45Å; W49-N62 HydrophobicContact CZ3-CB 4.01Å; W49-N62 WeakPolarHBondContact O-CB 3.26Å; W49-N62 PolarHBondContact O-ND2 3.26Å
50L98.5Very high97.8Very high0 Ų064.8 Ų64.80%035%0.352CS..EExtended strand (participates in β ladder)trans-111.3-56.8-175.4-61.1-179.1000112.2W38 R40 N62 L65 L69 L82 I84 Y95W38-L50 HydrophobicContact CB-CB 4.31Å; W38-L50 WeakPolarHBondContact O-CB 3.4Å; W38-L50 PolarHBondContact O-N 3.41Å; R40-L50 HydrophobicContact CB-CD1 4.02Å; R40-L50 HydrophobicContact CG-CD1 4.07Å; R40-L50 HydrophobicContact CG-CD2 3.94Å; R40-L50 HydrophobicContact CG-CG 4.17Å; L50-N62 WeakPolarHBondContact O-CB 3.43Å; L50-N62 PolarHBondContact O-N 3.35Å; L50-L65 HydrophobicContact CD2-CD1 3.46Å; L50-L65 VanDerWaalsContact CD2-CD1 3.46Å; L50-L69 HydrophobicContact CB-CD1 4.03Å; L50-L69 WeakPolarHBondContact O-CD1 3.44Å; L50-L82 HydrophobicContact CD1-CD2 3.67Å; L50-I84 HydrophobicContact CD1-CD1 4.26Å; L50-Y95 HydrophobicContact CD1-CD1 3.93Å; L50-Y95 HydrophobicContact CD1-CE1 3.68Å
51A98.7Very high97.9Very high0 Ų066.5 Ų66.50%036%0.359CS..EExtended strand (participates in β ladder)trans-158158.7-175.500000110.8S37 W38 W49 H60 Y61 I71 L82S37-A51 CarbonylContact C-O 3.59Å; S37-A51 VanDerWaalsContact CA-O 3.26Å; S37-A51 WeakPolarHBondContact CA-O 3.39Å; W38-A51 PolarHBondContact N-O 2.88Å; W38-A51 PolarHBondContact O-N 2.94Å; W49-A51 PolarHBondContact NE1-O 2.93Å; A51-H60 CarbonylContact C-O 3.6Å; A51-H60 WeakPolarHBondContact CA-O 3.49Å; A51-H60 WeakPolarHBondContact CB-O 3.11Å; A51-Y61 HydrophobicContact CB-CD1 3.79Å; A51-Y61 HydrophobicContact CB-CE1 4.16Å; A51-I71 HydrophobicContact CB-CB 3.96Å; A51-I71 HydrophobicContact CB-CD1 3.92Å; A51-I71 HydrophobicContact CB-CG1 4.49Å; A51-I71 HydrophobicContact CB-CG2 4.13Å; A51-L82 HydrophobicContact CB-CD1 4.28Å
52H98.6Very high97.9Very high22 Ų2264.1 Ų64.110%0.10235%0.348CS..EExtended strand (participates in β ladder)trans-139.2143.1176.1178.3-98.2000109.9G35 V36 S37 W49 Y54 K59 H60G35-H52 WeakPolarHBondContact CA-NE2 3.47Å; V36-H52 VanDerWaalsContact C-CD2 3.44Å; V36-H52 PolarHBondContact N-NE2 3.18Å; V36-H52 WeakPolarHBondContact O-CA 3.47Å; V36-H52 PolarHBondContact O-CD2 2.8Å; S37-H52 PolarHBondContact OG-CD2 3.49Å; W49-H52 HydrophobicContact CZ2-CB 3.64Å; H52-Y54 AromaticContact CE1-CD1 3.57Å; H52-Y54 AromaticContact CE1-CD2 3.41Å; H52-Y54 VanDerWaalsContact CE1-CD2 3.41Å; H52-Y54 WeakPolarHBondContact CE1-CD2 3.43Å; H52-Y54 AromaticContact CE1-CE1 3.46Å; H52-Y54 VanDerWaalsContact CE1-CE1 3.46Å; H52-Y54 WeakPolarHBondContact CE1-CE1 3.46Å; H52-Y54 AromaticContact CE1-CE2 3.28Å; H52-Y54 WeakPolarHBondContact CE1-CE2 3.4Å; H52-Y54 AromaticContact CE1-CG 3.53Å; H52-Y54 AromaticContact CE1-CZ 3.3Å; H52-Y54 AromaticContact ND1-CD2 3.6Å; H52-Y54 AromaticContact ND1-CE2 3.49Å; H52-Y54 WeakPolarHBondContact ND1-CE2 3.18Å; H52-Y54 AromaticContact ND1-CZ 3.93Å; H52-K59 WeakPolarHBondContact O-CA 3.49Å; H52-H60 HydrophobicContact CB-CB 4.35Å; H52-H60 PolarHBondContact N-O 2.91Å; H52-H60 PolarHBondContact O-N 2.85Å
53I98.7Very high97.9Very high0 Ų069 Ų690%038%0.38CS..EExtended strand (participates in β ladder)trans-130.7127174.5-169.4167.3000110.1G35 V36 D58 K59 I71 K73 V80G35-I53 CarbonylContact C-O 3.58Å; G35-I53 WeakPolarHBondContact CA-O 3.25Å; V36-I53 PolarHBondContact N-O 3.16Å; V36-I53 PolarHBondContact O-N 3.39Å; I53-D58 WeakPolarHBondContact CA-O 3.48Å; I53-K59 HydrophobicContact CB-CG 4.41Å; I53-K59 HydrophobicContact CD1-CD 4.33Å; I53-K59 HydrophobicContact CD1-CG 3.96Å; I53-K59 HydrophobicContact CG1-CG 3.89Å; I53-I71 HydrophobicContact CB-CD1 3.89Å; I53-I71 HydrophobicContact CB-CG1 4.12Å; I53-I71 HydrophobicContact CB-CG2 4.15Å; I53-I71 HydrophobicContact CG2-CD1 3.71Å; I53-I71 HydrophobicContact CG2-CG1 3.99Å; I53-K73 HydrophobicContact CD1-CB 4.13Å; I53-K73 HydrophobicContact CD1-CD 4.12Å; I53-K73 HydrophobicContact CD1-CG 3.88Å; I53-K73 HydrophobicContact CG1-CD 4.36Å; I53-V80 HydrophobicContact CG2-CG1 3.82Å; I53-V80 HydrophobicContact CG2-CG2 4.24Å
54Y98.3Very high97.8Very high90 Ų9068.3 Ų68.335%0.35338%0.375SS..EExtended strand (participates in β ladder)trans-87.2168.5173.2-82.6-69.5000112M34 H52 D56 D57 D58 K73M34-Y54 CarbonylContact O-C 3.59Å; M34-Y54 WeakPolarHBondContact O-CA 3.37Å; M34-Y54 WeakPolarHBondContact O-CD1 3.4Å; H52-Y54 AromaticContact CE1-CD1 3.57Å; H52-Y54 AromaticContact CE1-CD2 3.41Å; H52-Y54 VanDerWaalsContact CE1-CD2 3.41Å; H52-Y54 WeakPolarHBondContact CE1-CD2 3.43Å; H52-Y54 AromaticContact CE1-CE1 3.46Å; H52-Y54 VanDerWaalsContact CE1-CE1 3.46Å; H52-Y54 WeakPolarHBondContact CE1-CE1 3.46Å; H52-Y54 AromaticContact CE1-CE2 3.28Å; H52-Y54 WeakPolarHBondContact CE1-CE2 3.4Å; H52-Y54 AromaticContact CE1-CG 3.53Å; H52-Y54 AromaticContact CE1-CZ 3.3Å; H52-Y54 AromaticContact ND1-CD2 3.6Å; H52-Y54 AromaticContact ND1-CE2 3.49Å; H52-Y54 WeakPolarHBondContact ND1-CE2 3.18Å; H52-Y54 AromaticContact ND1-CZ 3.93Å; Y54-D56 VanDerWaalsContact CB-OD1 3.31Å; Y54-D56 WeakPolarHBondContact CB-OD1 3.24Å; Y54-D56 PolarHBondContact O-N 3.49Å; Y54-D57 PolarHBondContact O-N 3.33Å; Y54-D57 VanDerWaalsContact O-N 3.12Å; Y54-D58 HydrophobicContact CD2-CB 4.41Å; Y54-D58 PolarHBondContact N-O 2.88Å; Y54-K73 WeakPolarHBondContact O-CE 3.36Å
55W97.5Very high97.8Very high83 Ų8365 Ų6531%0.31434%0.337SS..THydrogen-bonded Turntrans-52.5-32.717969.1-77.8000114.9L29 T31 F32 M34 K73L29-W55 WeakPolarHBondContact O-CA 3.35Å; L29-W55 WeakPolarHBondContact O-CB 3.3Å; T31-W55 WeakPolarHBondContact O-CB 3.22Å; F32-W55 AromaticContact CD2-CE2 3.56Å; F32-W55 AromaticContact CD2-CH2 3.98Å; F32-W55 HydrophobicContact CD2-CH2 3.98Å; F32-W55 AromaticContact CD2-CZ2 3.26Å; F32-W55 HydrophobicContact CD2-CZ2 3.26Å; F32-W55 AromaticContact CD2-NE1 3.86Å; F32-W55 AromaticContact CE2-CZ2 3.63Å; F32-W55 HydrophobicContact CE2-CZ2 3.63Å; F32-W55 HydrophobicContact CG-CZ2 4.33Å; M34-W55 PolarHBondContact O-N 2.85Å; W55-K73 WeakPolarHBondContact O-CE 3.29Å; W55-K73 PolarHBondContact O-NZ 2.83Å
56D97.3Very high97.8Very high82 Ų8264.4 Ų64.444%0.43933%0.334SS..THydrogen-bonded Turntrans-94.715.6-177.960.2-7.5000113.9Y54 D58Y54-D56 VanDerWaalsContact CB-OD1 3.31Å; Y54-D56 WeakPolarHBondContact CB-OD1 3.24Å; Y54-D56 PolarHBondContact O-N 3.49Å; D56-D58 PolarHBondContact O-N 3.32Å; D56-D58 WeakPolarHBondContact OD1-CB 3Å; D56-D58 PolarHBondContact OD1-N 2.74Å
57D97.6Very high97.8Very high81 Ų8167.3 Ų67.343%0.43335%0.345SS..  trans66.516.9-176.9-69.7-74.4000114.7Y54 K59 K73Y54-D57 PolarHBondContact O-N 3.33Å; Y54-D57 VanDerWaalsContact O-N 3.12Å; D57-K59 WeakPolarHBondContact O-CG 2.95Å; D57-K59 PolarHBondContact O-N 2.9Å; D57-K73 VanDerWaalsContact CG-NZ 3.33Å; D57-K73 WeakPolarHBondContact OD1-CE 3.44Å; D57-K73 IonicContact OD1-NZ 3.97Å; D57-K73 PolarHBondContact OD1-NZ 3.03Å; D57-K73 WeakPolarHBondContact OD2-CE 3.42Å; D57-K73 IonicContact OD2-NZ 3.74Å; D57-K73 PolarHBondContact OD2-NZ 3.04Å
58D98.3Very high97.8Very high72 Ų7263.6 Ų63.639%0.38532%0.323SS..  trans-67.6123.1165-177.224.3000110.4I53 Y54 D56 H60I53-D58 WeakPolarHBondContact CA-O 3.48Å; Y54-D58 HydrophobicContact CD2-CB 4.41Å; Y54-D58 PolarHBondContact N-O 2.88Å; D56-D58 PolarHBondContact O-N 3.32Å; D56-D58 WeakPolarHBondContact OD1-CB 3Å; D56-D58 PolarHBondContact OD1-N 2.74Å; D58-H60 VanDerWaalsContact CG-NE2 3.28Å; D58-H60 IonicContact OD1-CD2 3.77Å; D58-H60 IonicContact OD1-CE1 2.71Å; D58-H60 IonicContact OD1-NE2 3.98Å; D58-H60 PolarHBondContact OD1-NE2 2.91Å; D58-H60 IonicContact OD2-CD2 2.85Å; D58-H60 IonicContact OD2-CE1 3.73Å; D58-H60 IonicContact OD2-NE2 2.67Å; D58-H60 PolarHBondContact OD2-NE2 2.95Å
59K98.6Very high97.8Very high80 Ų8061.3 Ų61.335%0.34831%0.313SS..EExtended strand (participates in β ladder)trans-122.1124-168.8-67.5168.2-165-177.60110.7H52 I53 D57 Y61 I71H52-K59 WeakPolarHBondContact O-CA 3.49Å; I53-K59 HydrophobicContact CB-CG 4.41Å; I53-K59 HydrophobicContact CD1-CD 4.33Å; I53-K59 HydrophobicContact CD1-CG 3.96Å; I53-K59 HydrophobicContact CG1-CG 3.89Å; D57-K59 WeakPolarHBondContact O-CG 2.95Å; D57-K59 PolarHBondContact O-N 2.9Å; K59-Y61 HydrophobicContact CB-CE2 3.8Å; K59-I71 HydrophobicContact CB-CG2 4.08Å; K59-I71 HydrophobicContact CD-CG2 4.15Å; K59-I71 WeakPolarHBondContact CD-O 3.42Å; K59-I71 WeakPolarHBondContact CE-O 3.47Å; K59-I71 HydrophobicContact CG-CG2 3.84Å; K59-I71 PolarHBondContact NZ-O 3.35Å
60H98.6Very high97.8Very high82 Ų8260.4 Ų60.438%0.3832%0.317SS..EExtended strand (participates in β ladder)trans-113.8144.2176.2-61.9-90.8000109.6W49 A51 H52 D58W49-H60 HydrophobicContact CH2-CB 3.83Å; W49-H60 HydrophobicContact CZ2-CB 4.02Å; A51-H60 CarbonylContact C-O 3.6Å; A51-H60 WeakPolarHBondContact CA-O 3.49Å; A51-H60 WeakPolarHBondContact CB-O 3.11Å; H52-H60 HydrophobicContact CB-CB 4.35Å; H52-H60 PolarHBondContact N-O 2.91Å; H52-H60 PolarHBondContact O-N 2.85Å; D58-H60 VanDerWaalsContact CG-NE2 3.28Å; D58-H60 IonicContact OD1-CD2 3.77Å; D58-H60 IonicContact OD1-CE1 2.71Å; D58-H60 IonicContact OD1-NE2 3.98Å; D58-H60 PolarHBondContact OD1-NE2 2.91Å; D58-H60 IonicContact OD2-CD2 2.85Å; D58-H60 IonicContact OD2-CE1 3.73Å; D58-H60 IonicContact OD2-NE2 2.67Å; D58-H60 PolarHBondContact OD2-NE2 2.95Å
61Y98.7Very high97.8Very high48 Ų4860.4 Ų60.419%0.18832%0.317CS..EExtended strand (participates in β ladder)trans-134.8148.6-177.7-61-86.1000110.5W49 A51 K59 P63 K66 L69 I71W49-Y61 VanDerWaalsContact CH2-C 3.4Å; A51-Y61 HydrophobicContact CB-CD1 3.79Å; A51-Y61 HydrophobicContact CB-CE1 4.16Å; K59-Y61 HydrophobicContact CB-CE2 3.8Å; Y61-P63 WeakPolarHBondContact O-CD 3.38Å; Y61-K66 HydrophobicContact CD2-CG 4.46Å; Y61-K66 HydrophobicContact CG-CG 4.28Å; Y61-L69 HydrophobicContact CD1-CB 3.7Å; Y61-L69 HydrophobicContact CE1-CB 4.11Å; Y61-I71 HydrophobicContact CE1-CB 4.26Å; Y61-I71 HydrophobicContact CE1-CG2 3.8Å; Y61-I71 PolarHBondContact OH-N 3.36Å
62N98.1Very high97.8Very high23 Ų2362.3 Ų62.312%0.12333%0.331CS..  trans-60.7119.7170.1-176.7-34.2000109.1W49 L50 S64 L65 K66W49-N62 HydrophobicContact CE3-CB 3.9Å; W49-N62 VanDerWaalsContact CZ3-CA 3.45Å; W49-N62 HydrophobicContact CZ3-CB 4.01Å; W49-N62 WeakPolarHBondContact O-CB 3.26Å; W49-N62 PolarHBondContact O-ND2 3.26Å; L50-N62 WeakPolarHBondContact O-CB 3.43Å; L50-N62 PolarHBondContact O-N 3.35Å; N62-S64 PolarHBondContact O-N 3.32Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-S64 WeakPolarHBondContact OD1-CB 3.17Å; N62-S64 PolarHBondContact OD1-N 3.14Å; N62-L65 HydrophobicContact CB-CB 4.45Å; N62-L65 CarbonylContact O-C 3.47Å; N62-L65 PolarHBondContact O-N 3.38Å; N62-K66 WeakPolarHBondContact O-CB 3.31Å; N62-K66 PolarHBondContact O-N 2.91Å
63P97.6Very high97.8Very high116 Ų11663.1 Ų63.175%0.75333%0.334SS*.THydrogen-bonded Turntrans-54.2-35.8-176.5-2835.6000113.8Y61 L65Y61-P63 WeakPolarHBondContact O-CD 3.38Å; P63-L65 VanDerWaalsContact C-N 3.27Å; P63-L65 PolarHBondContact O-N 3.32Å
64S95.6Very high97.7Very high107 Ų10765.3 Ų65.375%0.74835%0.345SS*.THydrogen-bonded Turntrans-71.3-19.8-179-59.50000113.7N62N62-S64 PolarHBondContact O-N 3.32Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-S64 WeakPolarHBondContact OD1-CB 3.17Å; N62-S64 PolarHBondContact OD1-N 3.14Å
65L95.7Very high97.6Very high18 Ų1863.8 Ų63.89%0.09435%0.345CS..THydrogen-bonded Turntrans-120.1-5.9-175.7-60.7172.5000113L50 N62 P63 S67 R68 L69L50-L65 HydrophobicContact CD2-CD1 3.46Å; L50-L65 VanDerWaalsContact CD2-CD1 3.46Å; N62-L65 HydrophobicContact CB-CB 4.45Å; N62-L65 CarbonylContact O-C 3.47Å; N62-L65 PolarHBondContact O-N 3.38Å; P63-L65 VanDerWaalsContact C-N 3.27Å; P63-L65 PolarHBondContact O-N 3.32Å; L65-S67 PolarHBondContact O-N 3.33Å; L65-R68 PolarHBondContact O-N 3.3Å; L65-L69 HydrophobicContact CB-CD1 3.68Å; L65-L69 HydrophobicContact CB-CG 3.97Å; L65-L69 WeakPolarHBondContact O-CG 3.25Å; L65-L69 PolarHBondContact O-N 2.94Å
66K96.4Very high97.4Very high130 Ų13064.7 Ų64.757%0.56536%0.364SS*.THydrogen-bonded Turntrans-50.7-34.8-169.6-178.9173.4-179178.60114.4Y61 N62 R68Y61-K66 HydrophobicContact CD2-CG 4.46Å; Y61-K66 HydrophobicContact CG-CG 4.28Å; N62-K66 WeakPolarHBondContact O-CB 3.31Å; N62-K66 PolarHBondContact O-N 2.91Å; K66-R68 PolarHBondContact O-N 2.8Å
67S97Very high97.4Very high116 Ų11665.6 Ų65.681%0.81137%0.369SS*.THydrogen-bonded Turntrans-65.6-21.3-179.556.50000114L65L65-S67 PolarHBondContact O-N 3.33Å
68R97.3Very high97.4Very high41 Ų4164.5 Ų64.516%0.15536%0.364CS..THydrogen-bonded Turntrans-110-12.9-176.8-55.6-168.5-60.1125.7-6.5114L65 K66 I84 T85 T86 D91L65-R68 PolarHBondContact O-N 3.3Å; K66-R68 PolarHBondContact O-N 2.8Å; R68-I84 HydrophobicContact CB-CG2 4.49Å; R68-I84 WeakPolarHBondContact O-CA 3.48Å; R68-T85 WeakPolarHBondContact CA-OG1 3.45Å; R68-T85 WeakPolarHBondContact CD-O 3.49Å; R68-T85 PolarHBondContact NH1-O 2.77Å; R68-T85 PolarHBondContact O-N 2.84Å; R68-T85 PolarHBondContact O-OG1 3.43Å; R68-T86 WeakPolarHBondContact CD-OG1 3.33Å; R68-T86 PolarHBondContact NH1-O 3.24Å; R68-D91 IonicContact CZ-OD1 3.32Å; R68-D91 IonicContact CZ-OD2 3.7Å; R68-D91 IonicContact NH1-OD1 3.94Å; R68-D91 IonicContact NH1-OD2 3.46Å; R68-D91 PolarHBondContact NH1-OD2 2.71Å; R68-D91 IonicContact NH2-OD1 2.74Å; R68-D91 PolarHBondContact NH2-OD1 2.79Å; R68-D91 IonicContact NH2-OD2 2.8Å; R68-D91 PolarHBondContact NH2-OD2 3Å
69L98.3Very high97.4Very high9 Ų963.5 Ų63.55%0.04736%0.356CS..EExtended strand (participates in β ladder)trans-92.9140.8-174-61.2-178.3000111.7L50 Y61 L65 L82 K83 I84L50-L69 HydrophobicContact CB-CD1 4.03Å; L50-L69 WeakPolarHBondContact O-CD1 3.44Å; Y61-L69 HydrophobicContact CD1-CB 3.7Å; Y61-L69 HydrophobicContact CE1-CB 4.11Å; L65-L69 HydrophobicContact CB-CD1 3.68Å; L65-L69 HydrophobicContact CB-CG 3.97Å; L65-L69 WeakPolarHBondContact O-CG 3.25Å; L65-L69 PolarHBondContact O-N 2.94Å; L69-L82 HydrophobicContact CD2-CD1 4.38Å; L69-K83 CarbonylContact C-O 3.52Å; L69-K83 WeakPolarHBondContact CA-O 3.4Å; L69-I84 HydrophobicContact CD2-CB 4.28Å; L69-I84 HydrophobicContact CD2-CD1 4Å; L69-I84 HydrophobicContact CD2-CG1 3.69Å; L69-I84 HydrophobicContact CD2-CG2 4.06Å
70T98.6Very high97.4Very high68 Ų6859.7 Ų59.742%0.41734%0.34SS..EExtended strand (participates in β ladder)trans-137.3124.4167-56.50000108.7L82 K83T70-L82 WeakPolarHBondContact O-CA 3.4Å; T70-K83 PolarHBondContact N-O 2.84Å; T70-K83 PolarHBondContact O-N 2.03Å
71I98.8Very high97.4Very high0 Ų058.4 Ų58.40%033%0.333CS..EExtended strand (participates in β ladder)trans-112.6139.2173.5-164.4171.6000109.8A51 I53 K59 Y61 V80 F81A51-I71 HydrophobicContact CB-CB 3.96Å; A51-I71 HydrophobicContact CB-CD1 3.92Å; A51-I71 HydrophobicContact CB-CG1 4.49Å; A51-I71 HydrophobicContact CB-CG2 4.13Å; I53-I71 HydrophobicContact CB-CD1 3.89Å; I53-I71 HydrophobicContact CB-CG1 4.12Å; I53-I71 HydrophobicContact CB-CG2 4.15Å; I53-I71 HydrophobicContact CG2-CD1 3.71Å; I53-I71 HydrophobicContact CG2-CG1 3.99Å; K59-I71 HydrophobicContact CB-CG2 4.08Å; K59-I71 HydrophobicContact CD-CG2 4.15Å; K59-I71 WeakPolarHBondContact CD-O 3.42Å; K59-I71 WeakPolarHBondContact CE-O 3.47Å; K59-I71 HydrophobicContact CG-CG2 3.84Å; K59-I71 PolarHBondContact NZ-O 3.35Å; Y61-I71 HydrophobicContact CE1-CB 4.26Å; Y61-I71 HydrophobicContact CE1-CG2 3.8Å; Y61-I71 PolarHBondContact OH-N 3.36Å; I71-V80 HydrophobicContact CD1-CG1 3.99Å; I71-V80 HydrophobicContact CG1-CG1 3.87Å; I71-F81 WeakPolarHBondContact CA-O 3.3Å; I71-F81 WeakPolarHBondContact CG1-O 3.48Å
72S98.6Very high97.4Very high41 Ų4156.1 Ų56.129%0.28732%0.324SS..EExtended strand (participates in β ladder)trans-149159.6178.352.20000110.6V80 F81S72-V80 CarbonylContact O-C 3.59Å; S72-V80 WeakPolarHBondContact O-CA 3.47Å; S72-F81 PolarHBondContact N-O 2.9Å; S72-F81 VanDerWaalsContact N-O 3.13Å; S72-F81 PolarHBondContact O-N 3.03Å
73K97.8Very high97.4Very high38 Ų3859.9 Ų59.917%0.16534%0.34CS..EExtended strand (participates in β ladder)trans-126.3151.5177.263.7-177.1161.480.90111.8L29 I53 Y54 W55 D57 T75 Q79 V80L29-K73 HydrophobicContact CD1-CB 4.37Å; L29-K73 HydrophobicContact CD1-CD 4.41Å; I53-K73 HydrophobicContact CD1-CB 4.13Å; I53-K73 HydrophobicContact CD1-CD 4.12Å; I53-K73 HydrophobicContact CD1-CG 3.88Å; I53-K73 HydrophobicContact CG1-CD 4.36Å; Y54-K73 WeakPolarHBondContact O-CE 3.36Å; W55-K73 WeakPolarHBondContact O-CE 3.29Å; W55-K73 PolarHBondContact O-NZ 2.83Å; D57-K73 VanDerWaalsContact CG-NZ 3.33Å; D57-K73 WeakPolarHBondContact OD1-CE 3.44Å; D57-K73 IonicContact OD1-NZ 3.97Å; D57-K73 PolarHBondContact OD1-NZ 3.03Å; D57-K73 WeakPolarHBondContact OD2-CE 3.42Å; D57-K73 IonicContact OD2-NZ 3.74Å; D57-K73 PolarHBondContact OD2-NZ 3.04Å; K73-T75 HydrophobicContact CD-CG2 3.99Å; K73-T75 HydrophobicContact CG-CG2 4.35Å; K73-Q79 CarbonylContact C-O 3.57Å; K73-Q79 WeakPolarHBondContact CA-O 3.16Å; K73-V80 HydrophobicContact CB-CG2 4.16Å
74D97.4Very high97.4Very high46 Ų4654.4 Ų54.425%0.24630%0.304CS..EExtended strand (participates in β ladder)trans-122.7100.4162.2179.2-1.9000107.8S76 N77 N78 Q79 F81D74-S76 PolarHBondContact O-N 2.84Å; D74-S76 VanDerWaalsContact OD1-CB 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.19Å; D74-S76 PolarHBondContact OD1-N 3.12Å; D74-N77 PolarHBondContact O-N 3.25Å; D74-N77 PolarHBondContact OD1-N 3.13Å; D74-N77 PolarHBondContact OD2-ND2 3.19Å; D74-N78 PolarHBondContact O-N 3.37Å; D74-N78 VanDerWaalsContact O-N 3.13Å; D74-Q79 PolarHBondContact N-O 3.45Å; D74-Q79 PolarHBondContact O-N 2.83Å; D74-F81 HydrophobicContact CB-CE2 3.81Å; D74-F81 HydrophobicContact CB-CZ 4.35Å
75T95.2Very high97.6Very high58 Ų5851.6 Ų51.636%0.35628%0.283SS..THydrogen-bonded Turntrans-70.5-21.1-179.550.10000112.6L29 K73 N77L29-T75 HydrophobicContact CB-CG2 4.07Å; K73-T75 HydrophobicContact CD-CG2 3.99Å; K73-T75 HydrophobicContact CG-CG2 4.35Å; T75-N77 VanDerWaalsContact C-N 3.33Å
76S95.1Very high97.5Very high102 Ų10254.6 Ų54.671%0.71330%0.302SS*.THydrogen-bonded Turntrans-71.7-33.5178.9-49.50000111.2D74D74-S76 PolarHBondContact O-N 2.84Å; D74-S76 VanDerWaalsContact OD1-CB 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.19Å; D74-S76 PolarHBondContact OD1-N 3.12Å
77N96.8Very high97.5Very high101 Ų10149 Ų4954%0.5428%0.278SS..THydrogen-bonded Turntrans-104.45.5179.9-70.3-60.1000113.9D74 T75 Q79D74-N77 PolarHBondContact O-N 3.25Å; D74-N77 PolarHBondContact OD1-N 3.13Å; D74-N77 PolarHBondContact OD2-ND2 3.19Å; T75-N77 VanDerWaalsContact C-N 3.33Å; N77-Q79 HydrophobicContact CB-CG 4.38Å; N77-Q79 PolarHBondContact O-N 3.34Å
78N97Very high97.5Very high59 Ų5947.2 Ų47.232%0.31626%0.26SS..THydrogen-bonded Turntrans51.652.9-174.6-63.3-48.6000112.5F24 D74F24-N78 WeakPolarHBondContact CD1-O 3.44Å; F24-N78 HydrophobicContact CD2-CB 3.89Å; F24-N78 HydrophobicContact CE1-CB 4.36Å; F24-N78 WeakPolarHBondContact CE1-O 3.47Å; F24-N78 HydrophobicContact CE2-CB 3.58Å; F24-N78 HydrophobicContact CG-CB 4.41Å; F24-N78 VanDerWaalsContact CZ-C 3.41Å; F24-N78 VanDerWaalsContact CZ-CA 3.45Å; F24-N78 HydrophobicContact CZ-CB 3.83Å; F24-N78 PolarHBondContact N-O 2.81Å; F24-N78 WeakPolarHBondContact O-CB 3.1Å; D74-N78 PolarHBondContact O-N 3.37Å; D74-N78 VanDerWaalsContact O-N 3.13Å
79Q98.4Very high97.3Very high50 Ų5050.9 Ų50.923%0.23429%0.287CS..EExtended strand (participates in β ladder)trans-127.8143.1-177.2-75.4176.7-14.600113.2T21 C22 S23 K73 D74 N77 F81T21-Q79 HydrophobicContact CG2-CB 4.23Å; T21-Q79 HydrophobicContact CG2-CG 3.94Å; C22-Q79 CarbonylContact O-C 3.57Å; C22-Q79 VanDerWaalsContact O-CA 3.26Å; C22-Q79 WeakPolarHBondContact O-CA 3.47Å; S23-Q79 PolarHBondContact OG-NE2 2.86Å; K73-Q79 CarbonylContact C-O 3.57Å; K73-Q79 WeakPolarHBondContact CA-O 3.16Å; D74-Q79 PolarHBondContact N-O 3.45Å; D74-Q79 PolarHBondContact O-N 2.83Å; N77-Q79 HydrophobicContact CB-CG 4.38Å; N77-Q79 PolarHBondContact O-N 3.34Å; Q79-F81 HydrophobicContact CB-CE1 4.25Å; Q79-F81 HydrophobicContact CB-CE2 4.02Å; Q79-F81 HydrophobicContact CB-CZ 3.68Å
80V98.6Very high97.1Very high0 Ų053.2 Ų53.20%031%0.307CS..EExtended strand (participates in β ladder)trans-122.8134.5166.5178.50000109.3T21 C22 F24 L29 V36 I53 I71 S72 K73T21-V80 CarbonylContact C-O 3.54Å; C22-V80 HydrophobicContact CB-CB 4.43Å; C22-V80 PolarHBondContact N-O 2.93Å; C22-V80 PolarHBondContact O-N 3.07Å; F24-V80 HydrophobicContact CE1-CG2 3.95Å; L29-V80 HydrophobicContact CD1-CG2 3.27Å; V36-V80 HydrophobicContact CB-CB 4.48Å; V36-V80 HydrophobicContact CB-CG2 3.91Å; V36-V80 HydrophobicContact CG1-CB 4.14Å; V36-V80 HydrophobicContact CG1-CG1 4.23Å; V36-V80 HydrophobicContact CG1-CG2 4.08Å; V36-V80 HydrophobicContact CG2-CG2 4.18Å; I53-V80 HydrophobicContact CG2-CG1 3.82Å; I53-V80 HydrophobicContact CG2-CG2 4.24Å; I71-V80 HydrophobicContact CD1-CG1 3.99Å; I71-V80 HydrophobicContact CG1-CG1 3.87Å; S72-V80 CarbonylContact O-C 3.59Å; S72-V80 WeakPolarHBondContact O-CA 3.47Å; K73-V80 HydrophobicContact CB-CG2 4.16Å
81F98.8Very high96.9Very high55 Ų5550.4 Ų50.424%0.24129%0.29CS..EExtended strand (participates in β ladder)trans-112.3142.6-176.9-50.8-83.3000110.5L20 T21 I71 S72 D74 Q79L20-F81 VanDerWaalsContact O-CA 3.27Å; L20-F81 WeakPolarHBondContact O-CA 3.25Å; T21-F81 HydrophobicContact CG2-CD1 3.89Å; T21-F81 HydrophobicContact CG2-CE1 3.58Å; T21-F81 HydrophobicContact CG2-CZ 4.48Å; T21-F81 WeakPolarHBondContact OG1-CD1 3.44Å; I71-F81 WeakPolarHBondContact CA-O 3.3Å; I71-F81 WeakPolarHBondContact CG1-O 3.48Å; S72-F81 PolarHBondContact N-O 2.9Å; S72-F81 VanDerWaalsContact N-O 3.13Å; S72-F81 PolarHBondContact O-N 3.03Å; D74-F81 HydrophobicContact CB-CE2 3.81Å; D74-F81 HydrophobicContact CB-CZ 4.35Å; Q79-F81 HydrophobicContact CB-CE1 4.25Å; Q79-F81 HydrophobicContact CB-CE2 4.02Å; Q79-F81 HydrophobicContact CB-CZ 3.68Å
82L98.8Very high96.9Very high0 Ų055.5 Ų55.50%032%0.321CS..EExtended strand (participates in β ladder)trans-119.9130.8167.2-178.570.7000109S19 L20 W38 L50 A51 L69 T70 I84 Y95S19-L82 WeakPolarHBondContact CA-O 3.42Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.31Å; L20-L82 PolarHBondContact N-O 3.37Å; L20-L82 PolarHBondContact O-N 3.01Å; W38-L82 HydrophobicContact CB-CD1 4.43Å; W38-L82 HydrophobicContact CB-CD2 3.88Å; W38-L82 HydrophobicContact CD2-CB 3.82Å; W38-L82 HydrophobicContact CD2-CD2 4.04Å; W38-L82 HydrophobicContact CE3-CD2 4.32Å; W38-L82 HydrophobicContact CG-CB 3.79Å; W38-L82 HydrophobicContact CG-CD1 4.4Å; W38-L82 HydrophobicContact CG-CD2 3.87Å; W38-L82 HydrophobicContact CG-CG 4.24Å; W38-L82 HydrophobicContact CZ2-CB 4.33Å; L50-L82 HydrophobicContact CD1-CD2 3.67Å; A51-L82 HydrophobicContact CB-CD1 4.28Å; L69-L82 HydrophobicContact CD2-CD1 4.38Å; T70-L82 WeakPolarHBondContact O-CA 3.4Å; L82-I84 HydrophobicContact CD2-CD1 3.98Å; L82-I84 HydrophobicContact CD2-CG1 4.03Å; L82-I84 HydrophobicContact CG-CG1 4.12Å; L82-Y95 HydrophobicContact CD2-CD1 4.48Å
83K98.5Very high96.8Very high102 Ų10254.9 Ų54.944%0.44332%0.318SS..EExtended strand (participates in β ladder)trans-112.8135.8164.6-61.8-177.6177.3177.30110.1T17 L18 L69 T70T17-K83 HydrophobicContact CG2-CB 4.38Å; L18-K83 CarbonylContact O-C 3.56Å; L18-K83 VanDerWaalsContact O-CA 3.25Å; L18-K83 WeakPolarHBondContact O-CA 3.47Å; L69-K83 CarbonylContact C-O 3.52Å; L69-K83 WeakPolarHBondContact CA-O 3.4Å; T70-K83 PolarHBondContact N-O 2.84Å; T70-K83 PolarHBondContact O-N 2.03Å
84I98Very high96.8Very high1 Ų156.7 Ų56.71%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-121.4113.4170.8-45.1-170.8000107T17 L18 L50 R68 L69 L82 V87 Y95T17-I84 CarbonylContact C-O 3.49Å; T17-I84 WeakPolarHBondContact CA-O 3.32Å; L18-I84 HydrophobicContact CB-CB 4.28Å; L18-I84 HydrophobicContact CD2-CD1 4.15Å; L18-I84 PolarHBondContact N-O 2.81Å; L18-I84 PolarHBondContact O-N 2.87Å; L50-I84 HydrophobicContact CD1-CD1 4.26Å; R68-I84 HydrophobicContact CB-CG2 4.49Å; R68-I84 WeakPolarHBondContact O-CA 3.48Å; L69-I84 HydrophobicContact CD2-CB 4.28Å; L69-I84 HydrophobicContact CD2-CD1 4Å; L69-I84 HydrophobicContact CD2-CG1 3.69Å; L69-I84 HydrophobicContact CD2-CG2 4.06Å; L82-I84 HydrophobicContact CD2-CD1 3.98Å; L82-I84 HydrophobicContact CD2-CG1 4.03Å; L82-I84 HydrophobicContact CG-CG1 4.12Å; I84-V87 HydrophobicContact CB-CG1 4.12Å; I84-V87 HydrophobicContact CG2-CG1 4.08Å; I84-V87 WeakPolarHBondContact O-CG1 3.36Å; I84-Y95 HydrophobicContact CD1-CE1 3.66Å
85T97.9Very high96.8Very high49 Ų4955.9 Ų55.930%0.30133%0.326SS..  trans-82.5155.6177.958.50000111.1T17 R68 V87T17-T85 HydrophobicContact CG2-CG2 4.38Å; R68-T85 WeakPolarHBondContact CA-OG1 3.45Å; R68-T85 WeakPolarHBondContact CD-O 3.49Å; R68-T85 PolarHBondContact NH1-O 2.77Å; R68-T85 PolarHBondContact O-N 2.84Å; R68-T85 PolarHBondContact O-OG1 3.43Å; T85-V87 PolarHBondContact O-N 3.09Å
86T95.3Very high97Very high80 Ų8057.3 Ų57.349%0.49133%0.326SS..SBendtrans46.559.3176.162.90000112.2Q16 R68Q16-T86 PolarHBondContact O-N 2.99Å; R68-T86 WeakPolarHBondContact CD-OG1 3.33Å; R68-T86 PolarHBondContact NH1-O 3.24Å
87V96.6Very high97.1Very high13 Ų1353 Ų538%0.07930%0.296CS..  trans-67.3150.7-176.3-60.30000112.4L12 P14 S15 Q16 L18 I84 T85 D91L12-V87 HydrophobicContact CB-CG2 4.39Å; P14-V87 CarbonylContact C-O 3.58Å; P14-V87 VanDerWaalsContact CA-O 3.31Å; P14-V87 WeakPolarHBondContact CA-O 3.46Å; S15-V87 PolarHBondContact N-O 2.91Å; Q16-V87 HydrophobicContact CB-CG2 4.49Å; Q16-V87 WeakPolarHBondContact O-CG2 3.46Å; Q16-V87 PolarHBondContact O-N 3.34Å; L18-V87 HydrophobicContact CB-CG1 3.73Å; I84-V87 HydrophobicContact CB-CG1 4.12Å; I84-V87 HydrophobicContact CG2-CG1 4.08Å; I84-V87 WeakPolarHBondContact O-CG1 3.36Å; T85-V87 PolarHBondContact O-N 3.09Å; V87-D91 VanDerWaalsContact CA-OD2 3.22Å; V87-D91 WeakPolarHBondContact CA-OD2 3.42Å; V87-D91 HydrophobicContact CB-CB 4.32Å
88D95.4Very high97.2Very high78 Ų7849.9 Ų49.942%0.41728%0.284SS..  trans-130.9-174.4174.868.425.7000112.1A90 D91D88-A90 VanDerWaalsContact C-N 3.26Å; D88-A90 PolarHBondContact O-N 2.84Å; D88-A90 VanDerWaalsContact OD1-CA 3.32Å; D88-A90 WeakPolarHBondContact OD1-CA 3.2Å; D88-A90 VanDerWaalsContact OD1-CB 3.23Å; D88-A90 WeakPolarHBondContact OD1-CB 3.26Å; D88-A90 PolarHBondContact OD1-N 2.74Å; D88-D91 PolarHBondContact N-OD2 3.24Å; D88-D91 WeakPolarHBondContact O-CB 3.27Å; D88-D91 PolarHBondContact O-N 3Å; D88-D91 VanDerWaalsContact O-N 3.16Å; D88-D91 PolarHBondContact OD1-N 2.81Å; D88-D91 VanDerWaalsContact OD1-N 3.16Å
89T94Very high96.9Very high119 Ų11954.2 Ų54.273%0.7330%0.296SS*.G310 helixtrans-65.5-27.8179.752.60000113D91 T92T89-D91 PolarHBondContact O-N 2.8Å; T89-T92 WeakPolarHBondContact O-CB 3.13Å; T89-T92 PolarHBondContact O-N 2.71Å; T89-T92 PolarHBondContact O-OG1 2.96Å
90A92.9Very high96.9Very high57 Ų5754.5 Ų54.547%0.47130%0.299SS..G310 helixtrans-71.2-19.2176.300000112.3D88 T92D88-A90 VanDerWaalsContact C-N 3.26Å; D88-A90 PolarHBondContact O-N 2.84Å; D88-A90 VanDerWaalsContact OD1-CA 3.32Å; D88-A90 WeakPolarHBondContact OD1-CA 3.2Å; D88-A90 VanDerWaalsContact OD1-CB 3.23Å; D88-A90 WeakPolarHBondContact OD1-CB 3.26Å; D88-A90 PolarHBondContact OD1-N 2.74Å; A90-T92 VanDerWaalsContact C-N 3.25Å; A90-T92 PolarHBondContact O-N 3.48Å
91D96Very high96.8Very high9 Ų957.3 Ų57.35%0.04832%0.315CS..G310 helixtrans-80.3-1.4172.8-59.2-43.9000113.3R40 R68 V87 D88 T89 A93 Y95R40-D91 IonicContact CZ-OD1 3.62Å; R40-D91 IonicContact NH1-OD1 2.77Å; R40-D91 PolarHBondContact NH1-OD1 2.79Å; R40-D91 IonicContact NH2-OD1 3.15Å; R68-D91 IonicContact CZ-OD1 3.32Å; R68-D91 IonicContact CZ-OD2 3.7Å; R68-D91 IonicContact NH1-OD1 3.94Å; R68-D91 IonicContact NH1-OD2 3.46Å; R68-D91 PolarHBondContact NH1-OD2 2.71Å; R68-D91 IonicContact NH2-OD1 2.74Å; R68-D91 PolarHBondContact NH2-OD1 2.79Å; R68-D91 IonicContact NH2-OD2 2.8Å; R68-D91 PolarHBondContact NH2-OD2 3Å; V87-D91 VanDerWaalsContact CA-OD2 3.22Å; V87-D91 WeakPolarHBondContact CA-OD2 3.42Å; V87-D91 HydrophobicContact CB-CB 4.32Å; D88-D91 PolarHBondContact N-OD2 3.24Å; D88-D91 WeakPolarHBondContact O-CB 3.27Å; D88-D91 PolarHBondContact O-N 3Å; D88-D91 VanDerWaalsContact O-N 3.16Å; D88-D91 PolarHBondContact OD1-N 2.81Å; D88-D91 VanDerWaalsContact OD1-N 3.16Å; T89-D91 PolarHBondContact O-N 2.8Å; D91-A93 PolarHBondContact O-N 3.13Å; D91-Y95 PolarHBondContact O-OH 3.46Å
92T96.9Very high96.7Very high108 Ų10857.4 Ų57.466%0.66332%0.319SS*.  trans-71.8110.2174-58.20000110.4T89 A90T89-T92 WeakPolarHBondContact O-CB 3.13Å; T89-T92 PolarHBondContact O-N 2.71Å; T89-T92 PolarHBondContact O-OG1 2.96Å; A90-T92 VanDerWaalsContact C-N 3.25Å; A90-T92 PolarHBondContact O-N 3.48Å
93A97.4Very high96.5Very high27 Ų2760.8 Ų60.822%0.22334%0.338CS..SBendtrans-159.5164.6-174.500000111.1R40 Q41 P42 D91 Y95R40-A93 HydrophobicContact CB-CB 3.82Å; R40-A93 HydrophobicContact CG-CB 4.25Å; Q41-A93 WeakPolarHBondContact O-CA 3.46Å; Q41-A93 WeakPolarHBondContact O-CB 3.44Å; P42-A93 HydrophobicContact CB-CB 4.43Å; P42-A93 HydrophobicContact CG-CB 4.2Å; D91-A93 PolarHBondContact O-N 3.13Å; A93-Y95 HydrophobicContact CB-CD2 4.45Å; A93-Y95 HydrophobicContact CB-CE2 3.97Å; A93-Y95 VanDerWaalsContact O-CD2 3.25Å; A93-Y95 WeakPolarHBondContact O-CD2 3.34Å; A93-Y95 WeakPolarHBondContact O-CE2 3.01Å
94T98Very high96.4Very high77 Ų7758.3 Ų58.347%0.47233%0.331SS..EExtended strand (participates in β ladder)trans-79.4133.5159.4-51.30000108.6R40 Q41 Y96R40-T94 CarbonylContact C-O 3.47Å; R40-T94 VanDerWaalsContact CA-O 3.25Å; R40-T94 WeakPolarHBondContact CA-O 3.25Å; Q41-T94 PolarHBondContact N-O 3.37Å; Q41-T94 PolarHBondContact O-N 2.82Å; T94-Y96 HydrophobicContact CG2-CE1 3.78Å; T94-Y96 HydrophobicContact CG2-CE2 3.74Å; T94-Y96 VanDerWaalsContact CG2-OH 3.27Å; T94-Y96 WeakPolarHBondContact CG2-OH 3.42Å
95Y98.3Very high96.3Very high28 Ų2862.1 Ų62.111%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-109.3135.9-179.1-71.5-97.5000110L18 L20 R40 L50 L82 I84 D91 A93L18-Y95 HydrophobicContact CD2-CD2 4.5Å; L18-Y95 HydrophobicContact CD2-CE1 4.19Å; L18-Y95 HydrophobicContact CD2-CE2 3.87Å; L20-Y95 HydrophobicContact CD1-CD1 3.45Å; L20-Y95 VanDerWaalsContact CD1-CD1 3.45Å; L20-Y95 HydrophobicContact CD1-CD2 4.11Å; L20-Y95 HydrophobicContact CD1-CE1 4.17Å; L20-Y95 HydrophobicContact CD1-CG 3.42Å; L20-Y95 VanDerWaalsContact CD1-CG 3.42Å; R40-Y95 HydrophobicContact CB-CD1 3.74Å; R40-Y95 HydrophobicContact CB-CE1 3.69Å; R40-Y95 HydrophobicContact CB-CG 4.27Å; R40-Y95 HydrophobicContact CG-CE1 4.43Å; L50-Y95 HydrophobicContact CD1-CD1 3.93Å; L50-Y95 HydrophobicContact CD1-CE1 3.68Å; L82-Y95 HydrophobicContact CD2-CD1 4.48Å; I84-Y95 HydrophobicContact CD1-CE1 3.66Å; D91-Y95 PolarHBondContact O-OH 3.46Å; A93-Y95 HydrophobicContact CB-CD2 4.45Å; A93-Y95 HydrophobicContact CB-CE2 3.97Å; A93-Y95 VanDerWaalsContact O-CD2 3.25Å; A93-Y95 WeakPolarHBondContact O-CD2 3.34Å; A93-Y95 WeakPolarHBondContact O-CE2 3.01Å
96Y98.4Very high96.2Very high88 Ų8863 Ų6335%0.34536%0.357SS..EExtended strand (participates in β ladder)trans-128.1144.1-176.8-56.6-79.4000110E6 W38 I39 Q41 L47 T94E6-Y96 VanDerWaalsContact OE1-CA 3.29Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.35Å; W38-Y96 WeakPolarHBondContact CA-O 3.06Å; I39-Y96 PolarHBondContact N-O 3.41Å; I39-Y96 PolarHBondContact O-N 3.44Å; Q41-Y96 HydrophobicContact CB-CE2 3.92Å; L47-Y96 HydrophobicContact CD2-CD2 4.35Å; L47-Y96 HydrophobicContact CD2-CE2 4.42Å; T94-Y96 HydrophobicContact CG2-CE1 3.78Å; T94-Y96 HydrophobicContact CG2-CE2 3.74Å; T94-Y96 VanDerWaalsContact CG2-OH 3.27Å; T94-Y96 WeakPolarHBondContact CG2-OH 3.42Å
97C97.6Very high96.3Very high12 Ų1261.7 Ų61.78%0.08135%0.346CS..EExtended strand (participates in β ladder)trans-106.5143.8161.6590000111.5L4 E6 C22 V36 S37 W38L4-C97 HydrophobicContact CD2-CB 4.23Å; E6-C97 HydrophobicContact CG-CB 4.41Å; E6-C97 PolarHBondContact OE1-N 3.3Å; C22-C97 HydrophobicContact CB-CB 3.46Å; C22-C97 VanDerWaalsContact CB-CB 3.46Å; C22-C97 WeakPolarHBondContact CB-SG 3.35Å; C22-C97 WeakPolarHBondContact SG-CB 3.17Å; C22-C97 CovalentContact SG-SG 2.03Å; C22-C97 PolarHBondContact SG-SG 2.9Å; V36-C97 HydrophobicContact CG1-CB 4.12Å; S37-C97 CarbonylContact O-C 3.53Å; S37-C97 VanDerWaalsContact O-CA 3.25Å; S37-C97 WeakPolarHBondContact O-CA 3.41Å; W38-C97 HydrophobicContact CD2-CB 4.43Å; W38-C97 HydrophobicContact CE3-CB 4.47Å
98A97.6Very high96.3Very high36 Ų3665.8 Ų65.830%0.29837%0.369SS..EExtended strand (participates in β ladder)trans-136.5147.4-177.900000110.4V36 S37 I39V36-A98 CarbonylContact C-O 3.59Å; V36-A98 VanDerWaalsContact CA-O 3.24Å; V36-A98 WeakPolarHBondContact CA-O 3.29Å; S37-A98 PolarHBondContact N-O 2.73Å; S37-A98 PolarHBondContact O-N 3.16Å; I39-A98 HydrophobicContact CD1-CB 4.11Å
99R92.5Very high96.3Very high150 Ų15064.6 Ų64.657%0.56636%0.364SS*.  trans-115.10173.8161.3-178.4173.7-102.52.9109.5L4 F27 M34 V36L4-R99 HydrophobicContact CD2-CB 4.32Å; F27-R99 VanDerWaalsContact CD2-CD 3.47Å; F27-R99 HydrophobicContact CE1-CB 4.28Å; F27-R99 VanDerWaalsContact CE1-CD 3.44Å; F27-R99 HydrophobicContact CE1-CG 4.44Å; F27-R99 HydrophobicContact CE2-CG 4.28Å; F27-R99 HydrophobicContact CZ-CB 4.07Å; F27-R99 HydrophobicContact CZ-CG 4.24Å; M34-R99 PolarHBondContact SD-NE 3.39Å; M34-R99 PolarHBondContact SD-NH2 2.62Å; V36-R99 HydrophobicContact CG2-CB 4.5Å

Retrieved 99 of 99 residues in 146 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).